General Information of the Compound
| Compound ID |
CP0328529
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-[4-[2-[4-(3-pyridin-2-ylphenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H27N7O
|
||||||||||||||||||
| Molecular Weight |
477.572
|
||||||||||||||||||
| Canonical SMILES |
O=c1[nH]cnc2c(nccc12)-n1cc(CCN2CCC(CC2)c2cccc(c2)-c2ccccn2)cn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H27N7O/c36-28-24-7-12-30-27(26(24)31-19-32-28)35-18-20(17-33-35)8-13-34-14-9-21(10-15-34)22-4-3-5-23(16-22)25-6-1-2-11-29-25/h1-7,11-12,16-19,21H,8-10,13-15H2,(H,31,32,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AYSIHEFQSAIYGY-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound